General Information of the Compound
| Compound ID |
CP0247675
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| Compound Name |
1-((3-((4-(5-chlorothiazol-4-yl)-2-methylquinolin-8-yloxy)methyl)-4-methylpyridin-2-yl)methyl)-3-(trifluoromethyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C27H20ClF3N4O2S
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| Molecular Weight |
556.997
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| Canonical SMILES |
Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C27H20ClF3N4O2S/c1-15-8-9-32-21(12-35-10-4-6-20(26(35)36)27(29,30)31)19(15)13-37-22-7-3-5-17-18(11-16(2)34-23(17)22)24-25(28)38-14-33-24/h3-11,14H,12-13H2,1-2H3
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| InChIKey |
ROMRTXMEQJYJJZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound